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20980-57-8 | Propanedinitrile, 2-[[4-[(2-cyanoethyl)ethylamino]phenyl]methylene]-
CAS No: 20980-57-8 Catalog No: AG002KF4 MDL No:
Product Description
Catalog Number:
AG002KF4
Chemical Name:
Propanedinitrile, 2-[[4-[(2-cyanoethyl)ethylamino]phenyl]methylene]-
CAS Number:
20980-57-8
Molecular Formula:
C15H14N4
Molecular Weight:
250.2985
IUPAC Name:
2-[[4-[2-cyanoethyl(ethyl)amino]phenyl]methylidene]propanedinitrile
InChI:
InChI=1S/C15H14N4/c1-2-19(9-3-8-16)15-6-4-13(5-7-15)10-14(11-17)12-18/h4-7,10H,2-3,9H2,1H3
InChI Key:
NKAJWTWBTOVEMB-UHFFFAOYSA-N
SMILES:
N#CCCN(c1ccc(cc1)C=C(C#N)C#N)CC
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.122g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.305g/mol
Monoisotopic Mass:
250.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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